# generated using pymatgen
data_BaLiV2Ni3(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01806985
_cell_length_b   6.01188221
_cell_length_c   7.83789422
_cell_angle_alpha   70.57617986
_cell_angle_beta   67.56796079
_cell_angle_gamma   59.92452137
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiV2Ni3(HO5)2
_chemical_formula_sum   'Ba1 Li1 V2 Ni3 H2 O10'
_cell_volume   223.25887481
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.95362600  0.61154700  0.48361500  1
  Li  Li1  1  0.13133500  0.05040000  0.68237200  1
  V  V2  1  0.58282800  0.08146900  0.75053400  1
  V  V3  1  0.41040800  0.93281100  0.24671600  1
  Ni  Ni4  1  0.99284300  0.00382200  0.00959800  1
  Ni  Ni5  1  0.99432000  0.49724200  0.99618000  1
  Ni  Ni6  1  0.51141700  0.49703300  0.99616900  1
  H  H7  1  0.29754100  0.67654000  0.72898900  1
  H  H8  1  0.73154700  0.25200900  0.28578000  1
  O  O9  1  0.21418400  0.21480600  0.81588500  1
  O  O10  1  0.75299200  0.21503900  0.81652400  1
  O  O11  1  0.76291500  0.79499600  0.17084600  1
  O  O12  1  0.27149100  0.79520000  0.17050900  1
  O  O13  1  0.72021800  0.72419100  0.83303500  1
  O  O14  1  0.27691700  0.27197900  0.17416800  1
  O  O15  1  0.33142700  0.84957800  0.48832400  1
  O  O16  1  0.68943000  0.12236300  0.50212800  1
  O  O17  1  0.22177200  0.69195300  0.86276000  1
  O  O18  1  0.77779100  0.30035600  0.14419800  1
